8004-6113 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,4-dichloroaniline

8004-6113 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,4-dichloroaniline
8004-6113 Screening compound: N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,4-dichloroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-6113
N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,4-dichloroaniline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8004-6113

Molecular Formula

C13H10Cl2N4 (C13 H10 Cl2 N4)

Compound Name

N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-3,4-dichloroaniline

IUPAC name

N-[(1H-123-benzotriazol-1-yl)methyl]-34-dichloroaniline

SMILES

Clc(ccc(NCn1nnc2c1cccc2)c1)c1Cl

InChI

InChI=1S/C13H10Cl2N4/c14-10-6-5-9(7-11(10)15)16-8-19-13-4-2-1-3-12(13)17-18-19/h1-7,16H,8H2

InChI Key

ZDTOZTJDKRBYLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00437339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.15

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.012

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.10

Polar Surface Area

36.824

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 8004-6113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-6113?
Check Price and Availability of 8004-6113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-6113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-6113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-6113
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8004-6113 available by request